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C11H7NOF6 | Cheminformatics
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(E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]but-3-en-2-one

Molecular Formula : C11H7NOF6 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]but-3-en-2-one is a drug-like molecule.

MolName : (E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]but-3-en-2-one

MolecularFormula : C11H7NOF6

Smiles : O=C(C(F)(F)F)/C=C/Nc1ccc(C(F)(F)F)cc1

InChI : InChI=1S/C11H7F6NO/c12-10(13,14)7-1-3-8(4-2-7)18-6-5-9(19)11(15,16)17/h1-6,18H

InChIK : GAADWVYOBUOUJB-UHFFFAOYSA-N

TotalMolweight : 283.171

Molweight : 283.171

MonoisotopicMass : 283.043182

CLogP : 2.6549

CLogS : -3.91

H Acceptors : 2

H Donors : 1

TotalSurfaceArea : 187.89

Relative PSA : 0.1304

PolarSurfaceArea : 29.1

Druglikeness : -32.675

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.63158

Fragments : 1

Non HAtoms : 19

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 1

Small Rings : 1

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 2

Symmetricatoms : 6

StereoCon :

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